N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide

C19H26ClN7O2S — CID 173201716

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide
SMILESN#CC1CSCN1CCn1on1C1CCC(NCC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H26ClN7O2S/c20-14-1-6-18(23-10-14)24-19(28)11-22-15-2-4-16(5-3-15)27-26(29-27)8-7-25-13-30-12-17(25)9-21/h1,6,10,15-17,22H,2-5,7-8,11-13H2,(H,23,24,28)
InChIKeyRHTKNHFBMBENHM-UHFFFAOYSA-N
MW451.98 g/mol
LogP2.54
Rot. Bonds8

About N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide

N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide (PubChem CID 173201716) has the molecular formula C19H26ClN7O2S and a molecular weight of 451.98 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide
PubChem CID173201716
Molecular FormulaC19H26ClN7O2S
Molecular Weight451.98 g/mol
Exact Mass451.16
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide
SMILESN#CC1CSCN1CCn1on1C1CCC(NCC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H26ClN7O2S/c20-14-1-6-18(23-10-14)24-19(28)11-22-15-2-4-16(5-3-15)27-26(29-27)8-7-25-13-30-12-17(25)9-21/h1,6,10,15-17,22H,2-5,7-8,11-13H2,(H,23,24,28)
InChIKeyRHTKNHFBMBENHM-UHFFFAOYSA-N
XLogP2.54
TPSA104.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide (CID 173201716) is N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide is N#CC1CSCN1CCn1on1C1CCC(NCC(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide?
The InChIKey is RHTKNHFBMBENHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN7O2S/c20-14-1-6-18(23-10-14)24-19(28)11-22-15-2-4-16(5-3-15)27-26(29-27)8-7-25-13-30-12-17(25)9-21/h1,6,10,15-17,22H,2-5,7-8,11-13H2,(H,23,24,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide?
N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide has a molecular weight of 451.98 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[4-[3-[2-(4-cyano-1,3-thiazolidin-3-yl)ethyl]oxadiaziridin-2-yl]cyclohexyl]amino]acetamide is sourced from PubChem (CID 173201716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).